(2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide

C13H19ClN2O3 — CID 119317513

IUPAC(2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide
SMILESCCOCCOc1ccc(Cl)cc1NC(=O)[C@H](C)N
InChIInChI=1S/C13H19ClN2O3/c1-3-18-6-7-19-12-5-4-10(14)8-11(12)16-13(17)9(2)15/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyOJUNRCRBKFONDE-VIFPVBQESA-N
MW286.76 g/mol
LogP2.04
Rot. Bonds7

About (2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide

(2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide (PubChem CID 119317513) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is (2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide
PubChem CID119317513
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name(2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide
SMILESCCOCCOc1ccc(Cl)cc1NC(=O)[C@H](C)N
InChIInChI=1S/C13H19ClN2O3/c1-3-18-6-7-19-12-5-4-10(14)8-11(12)16-13(17)9(2)15/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyOJUNRCRBKFONDE-VIFPVBQESA-N
XLogP2.04
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide
CID 119317523
2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119317522
(2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide
CID 103929030
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
2-(4-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]acetamide
CID 119773164
2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide
CID 54862650
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 120610429
N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide
CID 112685938
2-bromo-N-(5-chloro-2-propoxyphenyl)butanamide
CID 62854326
(2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302408
(2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide
CID 61180506

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide (CID 119317513) is (2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide is CCOCCOc1ccc(Cl)cc1NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide?
The InChIKey is OJUNRCRBKFONDE-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-3-18-6-7-19-12-5-4-10(14)8-11(12)16-13(17)9(2)15/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide?
(2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide has a molecular weight of 286.76 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide is sourced from PubChem (CID 119317513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).